2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol

C19H14ClFN4O — CID 66576176

IUPAC2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol
SMILESOCCn1nc(-c2ccc(F)cc2)c2c(Cl)c(-c3ccccc3)nnc21
InChIInChI=1S/C19H14ClFN4O/c20-16-15-17(13-6-8-14(21)9-7-13)24-25(10-11-26)19(15)23-22-18(16)12-4-2-1-3-5-12/h1-9,26H,10-11H2
InChIKeyBDUBRHUTSSBZBS-UHFFFAOYSA-N
MW368.80 g/mol
LogP3.95
Rot. Bonds4

About 2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol

2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol (PubChem CID 66576176) has the molecular formula C19H14ClFN4O and a molecular weight of 368.80 g/mol. Its IUPAC name is 2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol
PubChem CID66576176
Molecular FormulaC19H14ClFN4O
Molecular Weight368.80 g/mol
Exact Mass368.08
IUPAC Name2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol
SMILESOCCn1nc(-c2ccc(F)cc2)c2c(Cl)c(-c3ccccc3)nnc21
InChIInChI=1S/C19H14ClFN4O/c20-16-15-17(13-6-8-14(21)9-7-13)24-25(10-11-26)19(15)23-22-18(16)12-4-2-1-3-5-12/h1-9,26H,10-11H2
InChIKeyBDUBRHUTSSBZBS-UHFFFAOYSA-N
XLogP3.95
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol?
The IUPAC name of 2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol (CID 66576176) is 2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol?
The canonical SMILES for 2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol is OCCn1nc(-c2ccc(F)cc2)c2c(Cl)c(-c3ccccc3)nnc21.
What is the InChIKey of 2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol?
The InChIKey is BDUBRHUTSSBZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O/c20-16-15-17(13-6-8-14(21)9-7-13)24-25(10-11-26)19(15)23-22-18(16)12-4-2-1-3-5-12/h1-9,26H,10-11H2.
What are the key properties of 2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol?
2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol has a molecular weight of 368.80 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethanol is sourced from PubChem (CID 66576176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).